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Adipic acid, .beta.-citronellyl tridecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, .beta.-citronellyl tridecyl ester
SpectraBase Compound ID HaPRA6UCUUo
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-32-28(30)21-15-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,27H,5-18,20-25H2,1-4H3
InChIKey URSBKNYPEDFOPV-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFaWLZW9AJa
Name Adipic acid, .beta.-citronellyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-32-28(30)21-15-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,27H,5-18,20-25H2,1-4H3
InChIKey URSBKNYPEDFOPV-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCCCCCCCCCCC)=O